SCHEMBL11007231

SCHEMBL11007231

CCOC(=O)CC(O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ CYP1A2 P05177 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 5/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAOB P27338 2/20 0.38
▸ CYP2C19 P33261 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10980558 0.90 MAPT (0.48) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4
SCHEMBL10989567 0.90 CYP1A2 (0.57) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4
SCHEMBL10880485 0.89 ALDH1A1 (0.43) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4
SCHEMBL11012707 0.88 ALDH1A1 (0.59) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4
Quizalofop Ethyl Ester SCHEMBL30406 0.84 MAPT (0.67) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4
Quizalofop Ethyl Ester SCHEMBL9139248 0.84 MAPT (0.67) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4
Quizalofop-P-Ethyl SCHEMBL29474422 0.84 MAPT (0.67) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4
Quizalofop-P-Ethyl SCHEMBL53466 0.84 MAPT (0.67) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4
SCHEMBL10935699 0.84 ALDH1A1 (0.56) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4
Quizalofop-P-Ethyl SCHEMBL23045019 0.83 MAPT (0.66) ALDH1A1CYP1A2SMN1; SMN2MAPTCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4520199-A HERBICIDE USEFUL FOR THE CONTROL OF GRASS WEEDS ZOECON CORPORATION (US) 1985-05-28 — — US disclosed
Send feedback